N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide

C18H14N2O2S — CID 94845215

IUPACN-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-18(14-7-3-1-4-8-14)20-19-13-15-11-12-17(22-15)23-16-9-5-2-6-10-16/h1-13H,(H,20,21)/b19-13-
InChIKeyVWYCLGFBPCHXLY-UYRXBGFRSA-N
MW322.39 g/mol
LogP4.19
Rot. Bonds5

About N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide

N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide (PubChem CID 94845215) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
PubChem CID94845215
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-18(14-7-3-1-4-8-14)20-19-13-15-11-12-17(22-15)23-16-9-5-2-6-10-16/h1-13H,(H,20,21)/b19-13-
InChIKeyVWYCLGFBPCHXLY-UYRXBGFRSA-N
XLogP4.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1244627
N-[(E)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
CID 46502215
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide (CID 94845215) is N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is VWYCLGFBPCHXLY-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(14-7-3-1-4-8-14)20-19-13-15-11-12-17(22-15)23-16-9-5-2-6-10-16/h1-13H,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 322.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 94845215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).